#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
AET      AET 'N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)' non-polymer        57  34 M
#
data_comp_AET
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
 AET           P      P    .         0.000
 AET           O1P    O    .         0.000
 AET           O2P    O    .         0.000
 AET           O3P    O    .         0.000
 AET           O5*    O    .         0.000
 AET           C5*    C    .         0.000
 AET           C4*    C    .         0.000
 AET           O4*    O    .         0.000
 AET           C3*    C    .         0.000
 AET           O3*    O    .         0.000
 AET           C2*    C    .         0.000
 AET           O2*    O    .         0.000
 AET           C1*    C    .         0.000
 AET           N9     N    .         0.000
 AET           C8     C    .         0.000
 AET           N7     N    .         0.000
 AET           C5     C    .         0.000
 AET           C6     C    .         0.000
 AET           N6     N    .         0.000
 AET           CM6    C    .         0.000
 AET           N1     N    .         0.000
 AET           C2     C    .         0.000
 AET           N3     N    .         0.000
 AET           C4     C    .         0.000
 AET           C10    C    .         0.000
 AET           O10    O    .         0.000
 AET           N11    N    .         0.000
 AET           C12    C    .         0.000
 AET           C13    C    .         0.000
 AET           O13A   O    .         0.000
 AET           O13B   O    .         0.000
 AET           C14    C    .         0.000
 AET           O14    O    .         0.000
 AET           C15    C    .         0.000
 AET           HOP2   H    .         0.000
 AET           HOP3   H    .         0.000
 AET           H5*1   H    .         0.000
 AET           H5*2   H    .         0.000
 AET           H4*    H    .         0.000
 AET           H3*    H    .         0.000
 AET           HO3*   H    .         0.000
 AET           H2*    H    .         0.000
 AET           HO2*   H    .         0.000
 AET           H1*    H    .         0.000
 AET           H8     H    .         0.000
 AET           H2     H    .         0.000
 AET           HN1    H    .         0.000
 AET           H12    H    .         0.000
 AET           H13    H    .         0.000
 AET           H14    H    .         0.000
 AET           HO4    H    .         0.000
 AET           H151   H    .         0.000
 AET           H152   H    .         0.000
 AET           H153   H    .         0.000
 AET           HM61   H    .         0.000
 AET           HM62   H    .         0.000
 AET           HM63   H    .         0.000
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
 AET        P      O1P       double
 AET        P      O2P       single
 AET        P      O3P       single
 AET        P      O5*       single
 AET        O2P    HOP2      single
 AET        O3P    HOP3      single
 AET        O5*    C5*       single
 AET        C5*    C4*       single
 AET        C5*    H5*1      single
 AET        C5*    H5*2      single
 AET        C4*    O4*       single
 AET        C4*    C3*       single
 AET        C4*    H4*       single
 AET        O4*    C1*       single
 AET        C3*    O3*       single
 AET        C3*    C2*       single
 AET        C3*    H3*       single
 AET        O3*    HO3*      single
 AET        C2*    O2*       single
 AET        C2*    C1*       single
 AET        C2*    H2*       single
 AET        O2*    HO2*      single
 AET        C1*    N9        single
 AET        C1*    H1*       single
 AET        N9     C8        single
 AET        N9     C4        single
 AET        C8     N7        double
 AET        C8     H8        single
 AET        N7     C5        single
 AET        C5     C6        single
 AET        C5     C4        double
 AET        C6     N6        single
 AET        C6     N1        double
 AET        N6     C10       single
 AET        N6     CM6       single
 AET        CM6    HM61      single
 AET        CM6    HM62      single
 AET        CM6    HM63      single
 AET        N1     C2        single
 AET        C2     N3        double
 AET        C2     H2        single
 AET        N3     C4        single
 AET        C10    O10       double
 AET        C10    N11       single
 AET        N11    C12       single
 AET        N11    HN1       single
 AET        C12    C13       single
 AET        C12    C14       single
 AET        C12    H12       single
 AET        C13    O13A      double
 AET        C13    O13B      single
 AET        O13B   H13       single
 AET        C14    C15       single
 AET        C14    O14       single
 AET        C14    H14       single
 AET        O14    HO4       single
 AET        C15    H151      single
 AET        C15    H152      single
 AET        C15    H153      single